1QMO

structure of fril, a legume lectin that delays hematopoietic progenitor maturation

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 201
  • Norm. En. per Res.: -10.6966
• Hub Node: A(5)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-81.9792	-2.4999	-176.46	-260.9391	60	17	3	7640	0	10	15
A-C	0.0	8.8596	-0.851	8.0086	10	0	0	129	0	0	1
A-E	-722.4045	3.9244	-1428.6	-2147.0801	202	124	52	52771	1	30	29
A-F	0.0	0.5945	-31.4844	-30.8899	35	0	0	946	0	4	3
A-G	0.0	0.0	-15.7046	-15.7046	32	2	1	1205	0	3	0
B-D	0.0	8.7279	-0.7236	8.0043	10	0	0	115	0	0	1
B-E	0.0	-1.3627	-31.1562	-32.5189	35	0	0	939	0	4	3
B-F	-716.7981	3.9212	-1431.27	-2144.1469	201	130	52	52800	1	30	29
B-H	0.0	0.0	-17.073	-17.073	32	1	1	1080	0	3	0
C-D	-83.5171	-2.1853	-182.159	-267.8614	60	17	3	7670	0	10	15
C-E	0.0	0.0	-16.6309	-16.6309	32	2	1	1101	0	3	0
C-G	-717.3945	3.924	-1430.94	-2144.4105	201	129	52	52793	1	30	29
C-H	0.0	0.5775	-31.2478	-30.6703	35	0	0	921	0	4	3
D-F	0.0	0.0	-17.247	-17.247	32	1	1	1074	0	3	0
D-G	0.0	-1.3938	-31.6952	-33.089	35	0	0	967	0	4	3
D-H	-722.6505	3.9232	-1431.28	-2150.0074	201	122	52	52814	1	30	29
E-G	-14.8896	-10.2354	-121.637	-146.762	74	8	0	5387	2	6	9
F-H	-13.5416	-9.006	-117.357	-139.9046	74	7	0	5254	2	6	9

Interface residues

• A-B: ALA1A, ALA1B, ALA54A, ALA54B, ARG57A, ARG57B, ASN14A, ASN14B, ASN29A, ASN29B, ASP12A, ASP12B, ASP17A, ASP17B, ASP61A, ASP61B, ASP96A, GLN15A, GLN15B, GLN2A, GLN2B, GLU16A, GLU16B, GLU60A, GLU60B, ILE19A, ILE19B, LEU18A, LEU18B, LEU4A, LEU4B, LEU56A, LEU56B, LYS10A, LYS10B, PHE11A, PHE11B, PHE6A, PHE6B, PHE8A, PHE8B, PRO13A, PRO13B, PRO55A, PRO55B, PRO95A, PRO95B, SER3A, SER3B, SER53A, SER53B, SER5A, SER5B, SER7A, SER7B, THR9A, THR9B, TRP59A, TYR52A, TYR52B
• A-C: ASP69A, ASP69C, ILE71A, ILE71C, LEU65A, LEU65C, SER67A, SER67C, THR70A, THR70C
• A-E: ALA112A, ALA136E, ALA178E, ALA180E, ALA1A, ALA225E, ALA24A, ALA39A, ALA47A, ALA54A, ALA63A, ALA85A, ALA89A, ALA93A, ARG163E, ARG220E, ARG233E, ARG49A, ARG57A, ARG83A, ASN111A, ASN113A, ASN133E, ASN144E, ASN160E, ASN174E, ASN185E, ASN234E, ASN248E, ASN29A, ASN41A, ASN73A, ASP140E, ASP146E, ASP149E, ASP158E, ASP17A, ASP230E, ASP37A, ASP61A, ASP69A, ASP86A, ASP96A, GLN15A, GLN173E, GLN21A, GLN229E, GLN2A, GLN32A, GLU138E, GLU210E, GLU217E, GLU232E, GLU60A, GLU75A, GLY103A, GLY104A, GLY107A, GLY148E, GLY156E, GLY175E, GLY222E, GLY228E, GLY22A, GLY40A, GLY48A, GLY87A, HIS102A, HIS154E, HIS181E, HIS212E, HIS237E, HIS23A, ILE153E, ILE155E, ILE157E, ILE162E, ILE177E, ILE182E, ILE19A, ILE209E, ILE71A, ILE72A, ILE76A, ILE84A, ILE92A, ILE99A, LEU106A, LEU108A, LEU143E, LEU18A, LEU191E, LEU211E, LEU215E, LEU223E, LEU245E, LEU31A, LEU36A, LEU4A, LEU51A, LEU56A, LEU58A, LEU65A, LEU88A, LYS10A, LYS165E, LYS176E, LYS189E, LYS231E, LYS35A, PHE105A, PHE109A, PHE11A, PHE139E, PHE241E, PHE68A, PHE6A, PHE74A, PHE8A, PHE90A, PHE91A, PRO110A, PRO216E, PRO42A, PRO55A, PRO79A, PRO94A, PRO95A, SER100A, SER132E, SER161E, SER164E, SER183E, SER186E, SER188E, SER192E, SER195E, SER224E, SER226E, SER238E, SER240E, SER243E, SER244E, SER26A, SER3A, SER44A, SER45A, SER46A, SER53A, SER5A, SER62A, SER67A, SER77A, SER7A, SER82A, SER97A, THR141E, THR179E, THR194E, THR213E, THR227E, THR235E, THR242E, THR247E, THR25A, THR27A, THR34A, THR66A, THR70A, THR78A, THR81A, THR9A, TRP170E, TRP172E, TRP218E, TRP239E, TRP246E, TRP59A, TYR101A, TYR142E, TYR147E, TYR184E, TYR196E, TYR197E, TYR52A, TYR80A, VAL134E, VAL135E, VAL137E, VAL159E, VAL187E, VAL193E, VAL214E, VAL219E, VAL221E, VAL236E, VAL30A, VAL33A, VAL43A, VAL50A, VAL64A, VAL98A
• A-F: ALA1A, ARG220F, ASN14A, ASN248F, ASN29A, ASP12A, ASP17A, GLN15A, GLN2A, GLU16A, GLU217F, LEU18A, LEU245F, LEU4A, LYS10A, PHE241F, PHE6A, PHE8A, PRO13A, SER238F, SER240F, SER243F, SER244F, SER3A, SER53A, SER5A, SER7A, THR242F, THR247F, THR9A, TRP218F, TRP239F, TRP246F, TYR52A, VAL219F
• A-G: ALA180G, ALA198G, ALA1A, ALA203G, ALA63A, ASN185G, ASP69A, GLY199G, HIS181G, ILE182G, ILE71A, LEU65A, LYS201G, PHE68A, PRO202G, SER183G, SER192G, SER195G, SER200G, SER244G, SER62A, SER67A, THR179G, THR194G, THR204G, THR66A, TRP246G, TRP59A, TYR196G, TYR197G, VAL193G, VAL64A
• B-D: ASP69B, ASP69D, ILE71B, ILE71D, LEU65B, LEU65D, SER67B, SER67D, THR70B, THR70D
• B-E: ALA1B, ARG220E, ASN14B, ASN248E, ASN29B, ASP12B, ASP17B, GLN15B, GLN2B, GLU16B, GLU217E, LEU18B, LEU245E, LEU4B, LYS10B, PHE241E, PHE6B, PHE8B, PRO13B, SER238E, SER240E, SER243E, SER244E, SER3B, SER53B, SER5B, SER7B, THR242E, THR247E, THR9B, TRP218E, TRP239E, TRP246E, TYR52B, VAL219E
• B-F: ALA112B, ALA136F, ALA178F, ALA180F, ALA1B, ALA225F, ALA24B, ALA39B, ALA47B, ALA54B, ALA63B, ALA85B, ALA89B, ALA93B, ARG163F, ARG220F, ARG233F, ARG49B, ARG57B, ARG83B, ASN111B, ASN113B, ASN133F, ASN144F, ASN160F, ASN174F, ASN185F, ASN234F, ASN248F, ASN29B, ASN41B, ASN73B, ASP140F, ASP146F, ASP149F, ASP158F, ASP17B, ASP230F, ASP37B, ASP61B, ASP69B, ASP86B, ASP96B, GLN15B, GLN173F, GLN21B, GLN229F, GLN2B, GLN32B, GLU138F, GLU210F, GLU217F, GLU232F, GLU60B, GLU75B, GLY103B, GLY104B, GLY107B, GLY148F, GLY156F, GLY175F, GLY222F, GLY228F, GLY22B, GLY40B, GLY48B, GLY87B, HIS102B, HIS154F, HIS181F, HIS212F, HIS237F, HIS23B, ILE153F, ILE155F, ILE157F, ILE162F, ILE177F, ILE182F, ILE19B, ILE209F, ILE71B, ILE72B, ILE76B, ILE84B, ILE92B, ILE99B, LEU106B, LEU108B, LEU143F, LEU18B, LEU191F, LEU211F, LEU215F, LEU223F, LEU245F, LEU31B, LEU36B, LEU4B, LEU51B, LEU56B, LEU58B, LEU65B, LEU88B, LYS10B, LYS165F, LYS176F, LYS231F, LYS35B, PHE105B, PHE109B, PHE11B, PHE139F, PHE241F, PHE68B, PHE6B, PHE74B, PHE8B, PHE90B, PHE91B, PRO110B, PRO216F, PRO42B, PRO55B, PRO79B, PRO94B, PRO95B, SER100B, SER132F, SER161F, SER164F, SER183F, SER186F, SER188F, SER192F, SER195F, SER224F, SER226F, SER238F, SER240F, SER243F, SER244F, SER26B, SER3B, SER44B, SER45B, SER46B, SER53B, SER5B, SER62B, SER67B, SER77B, SER7B, SER82B, SER97B, THR141F, THR179F, THR194F, THR213F, THR227F, THR235F, THR242F, THR247F, THR25B, THR27B, THR34B, THR66B, THR70B, THR78B, THR81B, THR9B, TRP170F, TRP172F, TRP218F, TRP239F, TRP246F, TRP59B, TYR101B, TYR142F, TYR147F, TYR184F, TYR196F, TYR197F, TYR52B, TYR80B, VAL134F, VAL135F, VAL137F, VAL159F, VAL187F, VAL193F, VAL214F, VAL219F, VAL221F, VAL236F, VAL30B, VAL33B, VAL43B, VAL50B, VAL64B, VAL98B
• B-H: ALA180H, ALA198H, ALA1B, ALA203H, ALA63B, ASN185H, ASP69B, GLY199H, HIS181H, ILE182H, ILE71B, LEU65B, LYS201H, PHE68B, PRO202H, SER183H, SER192H, SER195H, SER200H, SER244H, SER62B, SER67B, THR179H, THR194H, THR204H, THR66B, TRP246H, TRP59B, TYR196H, TYR197H, VAL193H, VAL64B
• C-D: ALA1C, ALA1D, ALA54C, ALA54D, ARG57C, ARG57D, ASN14C, ASN14D, ASN29C, ASN29D, ASP12C, ASP12D, ASP17C, ASP17D, ASP61C, ASP61D, ASP96C, GLN15C, GLN15D, GLN2C, GLN2D, GLU16C, GLU16D, GLU60C, GLU60D, ILE19C, ILE19D, LEU18C, LEU18D, LEU4C, LEU4D, LEU56C, LEU56D, LYS10C, LYS10D, PHE11C, PHE11D, PHE6C, PHE6D, PHE8C, PHE8D, PRO13C, PRO13D, PRO55C, PRO55D, PRO95C, PRO95D, SER3C, SER3D, SER53C, SER53D, SER5C, SER5D, SER7C, SER7D, THR9C, THR9D, TRP59C, TYR52C, TYR52D
• C-E: ALA180E, ALA198E, ALA1C, ALA203E, ALA63C, ASN185E, ASP69C, GLY199E, HIS181E, ILE182E, ILE71C, LEU65C, LYS201E, PHE68C, PRO202E, SER183E, SER192E, SER195E, SER200E, SER244E, SER62C, SER67C, THR179E, THR194E, THR204E, THR66C, TRP246E, TRP59C, TYR196E, TYR197E, VAL193E, VAL64C
• C-G: ALA112C, ALA136G, ALA178G, ALA180G, ALA1C, ALA225G, ALA24C, ALA39C, ALA47C, ALA54C, ALA63C, ALA85C, ALA89C, ALA93C, ARG163G, ARG220G, ARG233G, ARG49C, ARG57C, ARG83C, ASN111C, ASN113C, ASN133G, ASN144G, ASN160G, ASN174G, ASN185G, ASN234G, ASN248G, ASN29C, ASN41C, ASN73C, ASP140G, ASP146G, ASP149G, ASP158G, ASP17C, ASP230G, ASP37C, ASP61C, ASP69C, ASP86C, ASP96C, GLN15C, GLN173G, GLN21C, GLN229G, GLN2C, GLN32C, GLU138G, GLU210G, GLU217G, GLU232G, GLU60C, GLU75C, GLY103C, GLY104C, GLY107C, GLY148G, GLY156G, GLY175G, GLY222G, GLY228G, GLY22C, GLY40C, GLY48C, GLY87C, HIS102C, HIS154G, HIS181G, HIS212G, HIS237G, HIS23C, ILE153G, ILE155G, ILE157G, ILE162G, ILE177G, ILE182G, ILE19C, ILE209G, ILE71C, ILE72C, ILE76C, ILE84C, ILE92C, ILE99C, LEU106C, LEU108C, LEU143G, LEU18C, LEU191G, LEU211G, LEU215G, LEU223G, LEU245G, LEU31C, LEU36C, LEU4C, LEU51C, LEU56C, LEU58C, LEU65C, LEU88C, LYS10C, LYS165G, LYS176G, LYS231G, LYS35C, PHE105C, PHE109C, PHE11C, PHE139G, PHE241G, PHE68C, PHE6C, PHE74C, PHE8C, PHE90C, PHE91C, PRO110C, PRO216G, PRO42C, PRO55C, PRO79C, PRO94C, PRO95C, SER100C, SER132G, SER161G, SER164G, SER183G, SER186G, SER188G, SER192G, SER195G, SER224G, SER226G, SER238G, SER240G, SER243G, SER244G, SER26C, SER3C, SER44C, SER45C, SER46C, SER53C, SER5C, SER62C, SER67C, SER77C, SER7C, SER82C, SER97C, THR141G, THR179G, THR194G, THR213G, THR227G, THR235G, THR242G, THR247G, THR25C, THR27C, THR34C, THR66C, THR70C, THR78C, THR81C, THR9C, TRP170G, TRP172G, TRP218G, TRP239G, TRP246G, TRP59C, TYR101C, TYR142G, TYR147G, TYR184G, TYR196G, TYR197G, TYR52C, TYR80C, VAL134G, VAL135G, VAL137G, VAL159G, VAL187G, VAL193G, VAL214G, VAL219G, VAL221G, VAL236G, VAL30C, VAL33C, VAL43C, VAL50C, VAL64C, VAL98C
• C-H: ALA1C, ARG220H, ASN14C, ASN248H, ASN29C, ASP12C, ASP17C, GLN15C, GLN2C, GLU16C, GLU217H, LEU18C, LEU245H, LEU4C, LYS10C, PHE241H, PHE6C, PHE8C, PRO13C, SER238H, SER240H, SER243H, SER244H, SER3C, SER53C, SER5C, SER7C, THR242H, THR247H, THR9C, TRP218H, TRP239H, TRP246H, TYR52C, VAL219H
• D-F: ALA180F, ALA198F, ALA1D, ALA203F, ALA63D, ASN185F, ASP69D, GLY199F, HIS181F, ILE182F, ILE71D, LEU65D, LYS201F, PHE68D, PRO202F, SER183F, SER192F, SER195F, SER200F, SER244F, SER62D, SER67D, THR179F, THR194F, THR204F, THR66D, TRP246F, TRP59D, TYR196F, TYR197F, VAL193F, VAL64D
• D-G: ALA1D, ARG220G, ASN14D, ASN248G, ASN29D, ASP12D, ASP17D, GLN15D, GLN2D, GLU16D, GLU217G, LEU18D, LEU245G, LEU4D, LYS10D, PHE241G, PHE6D, PHE8D, PRO13D, SER238G, SER240G, SER243G, SER244G, SER3D, SER53D, SER5D, SER7D, THR242G, THR247G, THR9D, TRP218G, TRP239G, TRP246G, TYR52D, VAL219G
• D-H: ALA112D, ALA136H, ALA178H, ALA180H, ALA1D, ALA225H, ALA24D, ALA39D, ALA47D, ALA54D, ALA63D, ALA85D, ALA89D, ALA93D, ARG163H, ARG220H, ARG233H, ARG49D, ARG57D, ARG83D, ASN111D, ASN113D, ASN133H, ASN144H, ASN160H, ASN174H, ASN185H, ASN234H, ASN248H, ASN29D, ASN41D, ASN73D, ASP140H, ASP146H, ASP149H, ASP158H, ASP17D, ASP230H, ASP37D, ASP61D, ASP69D, ASP86D, ASP96D, GLN15D, GLN173H, GLN21D, GLN229H, GLN2D, GLN32D, GLU138H, GLU210H, GLU217H, GLU232H, GLU60D, GLU75D, GLY103D, GLY104D, GLY107D, GLY148H, GLY156H, GLY175H, GLY222H, GLY228H, GLY22D, GLY40D, GLY48D, GLY87D, HIS102D, HIS154H, HIS181H, HIS212H, HIS237H, HIS23D, ILE153H, ILE155H, ILE157H, ILE162H, ILE177H, ILE182H, ILE19D, ILE209H, ILE71D, ILE72D, ILE76D, ILE84D, ILE92D, ILE99D, LEU106D, LEU108D, LEU143H, LEU18D, LEU191H, LEU211H, LEU215H, LEU223H, LEU245H, LEU31D, LEU36D, LEU4D, LEU51D, LEU56D, LEU58D, LEU65D, LEU88D, LYS10D, LYS165H, LYS176H, LYS231H, LYS35D, PHE105D, PHE109D, PHE11D, PHE139H, PHE241H, PHE68D, PHE6D, PHE74D, PHE8D, PHE90D, PHE91D, PRO110D, PRO216H, PRO42D, PRO55D, PRO79D, PRO94D, PRO95D, SER100D, SER132H, SER161H, SER164H, SER183H, SER186H, SER188H, SER192H, SER195H, SER224H, SER226H, SER238H, SER240H, SER243H, SER244H, SER26D, SER3D, SER44D, SER45D, SER46D, SER53D, SER5D, SER62D, SER67D, SER77D, SER7D, SER82D, SER97D, THR141H, THR179H, THR194H, THR213H, THR227H, THR235H, THR242H, THR247H, THR25D, THR27D, THR34D, THR66D, THR70D, THR78D, THR81D, THR9D, TRP170H, TRP172H, TRP218H, TRP239H, TRP246H, TRP59D, TYR101D, TYR142H, TYR147H, TYR184H, TYR196H, TYR197H, TYR52D, TYR80D, VAL134H, VAL135H, VAL137H, VAL159H, VAL187H, VAL193H, VAL214H, VAL219H, VAL221H, VAL236H, VAL30D, VAL33D, VAL43D, VAL50D, VAL64D, VAL98D
• E-G: ALA198E, ALA198G, ALA203E, ALA203G, ARG190E, ARG190G, ASN185E, ASN185G, ASN248E, ASN248G, ASP208E, ASP208G, GLY199E, GLY199G, HIS181E, HIS181G, ILE182E, ILE182G, ILE209E, ILE209G, LEU191E, LEU191G, LEU205E, LEU205G, LEU245E, LEU245G, LYS189E, LYS189G, LYS201E, LYS201G, PRO202E, PRO202G, SER183E, SER183G, SER186E, SER186G, SER188E, SER188G, SER192E, SER192G, SER195E, SER195G, SER200E, SER200G, SER206E, SER206G, SER240E, SER240G, SER244E, SER244G, THR179E, THR179G, THR194E, THR194G, THR204E, THR204G, THR242E, THR242G, THR247E, THR247G, TRP246E, TRP246G, TYR184E, TYR184G, TYR196E, TYR196G, TYR197E, TYR197G, TYR207E, TYR207G, VAL187E, VAL187G, VAL193E, VAL193G
• F-H: ALA198F, ALA198H, ALA203F, ALA203H, ARG190F, ARG190H, ASN185F, ASN185H, ASN248F, ASN248H, ASP208F, ASP208H, GLY199F, GLY199H, HIS181F, HIS181H, ILE182F, ILE182H, ILE209F, ILE209H, LEU191F, LEU191H, LEU205F, LEU205H, LEU245F, LEU245H, LYS189F, LYS189H, LYS201F, LYS201H, PRO202F, PRO202H, SER183F, SER183H, SER186F, SER186H, SER188F, SER188H, SER192F, SER192H, SER195F, SER195H, SER200F, SER200H, SER206F, SER206H, SER240F, SER240H, SER244F, SER244H, THR179F, THR179H, THR194F, THR194H, THR204F, THR204H, THR242F, THR242H, THR247F, THR247H, TRP246F, TRP246H, TYR184F, TYR184H, TYR196F, TYR196H, TYR197F, TYR197H, TYR207F, TYR207H, VAL187F, VAL187H, VAL193F, VAL193H